# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.45209394
_cell_length_b   16.20039396
_cell_length_c   46.76765595
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   94.34931536
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu80
_cell_volume   1852.48973692
_cell_formula_units_Z   80
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Cu  Cu1  1  0.920440  0.896552  0.276916  1
  Cu  Cu2  1  0.166232  0.387715  0.297199  1
  Cu  Cu3  1  0.479299  0.014106  0.295000  1
  Cu  Cu4  1  0.725262  0.505754  0.317056  1
  Cu  Cu5  1  0.043692  0.142767  0.286118  1
  Cu  Cu6  1  0.289779  0.634750  0.308133  1
  Cu  Cu7  1  0.607531  0.270353  0.278187  1
  Cu  Cu8  1  0.854070  0.763345  0.298607  1
  Cu  Cu9  1  0.411937  0.879361  0.320364  1
  Cu  Cu10  1  0.658037  0.371344  0.341814  1
  Cu  Cu11  1  0.970635  0.996741  0.340124  1
  Cu  Cu12  1  0.216511  0.488290  0.362404  1
  Cu  Cu13  1  0.534964  0.125319  0.330705  1
  Cu  Cu14  1  0.780684  0.616614  0.352898  1
  Cu  Cu15  1  0.099247  0.253798  0.321842  1
  Cu  Cu16  1  0.344838  0.744918  0.343483  1
  Cu  Cu17  1  0.903240  0.861864  0.365128  1
  Cu  Cu18  1  0.149382  0.354051  0.387355  1
  Cu  Cu19  1  0.461866  0.979144  0.385906  1
  Cu  Cu20  1  0.707765  0.470824  0.408302  1
  Cu  Cu21  1  0.026210  0.107781  0.376205  1
  Cu  Cu22  1  0.271976  0.599222  0.398530  1
  Cu  Cu23  1  0.590685  0.236663  0.366789  1
  Cu  Cu24  1  0.836238  0.727736  0.389036  1
  Cu  Cu25  1  0.394740  0.844810  0.410533  1
  Cu  Cu26  1  0.640619  0.336530  0.432996  1
  Cu  Cu27  1  0.953249  0.961889  0.431625  1
  Cu  Cu28  1  0.199064  0.453428  0.454048  1
  Cu  Cu29  1  0.517603  0.090548  0.421823  1
  Cu  Cu30  1  0.763383  0.582031  0.444236  1
  Cu  Cu31  1  0.082036  0.219367  0.412133  1
  Cu  Cu32  1  0.327673  0.710608  0.434641  1
  Cu  Cu33  1  0.886158  0.827625  0.456071  1
  Cu  Cu34  1  0.131908  0.319107  0.478639  1
  Cu  Cu35  1  0.444625  0.944624  0.477293  1
  Cu  Cu36  1  0.690402  0.436108  0.499689  1
  Cu  Cu37  1  0.008989  0.073308  0.467467  1
  Cu  Cu38  1  0.254777  0.564820  0.489897  1
  Cu  Cu39  1  0.573388  0.202064  0.457636  1
  Cu  Cu40  1  0.819102  0.693461  0.480257  1
  Cu  Cu41  1  0.377561  0.810422  0.501685  1
  Cu  Cu42  1  0.623221  0.301731  0.524279  1
  Cu  Cu43  1  0.936009  0.927379  0.522944  1
  Cu  Cu44  1  0.181775  0.418847  0.545246  1
  Cu  Cu45  1  0.500361  0.056044  0.513133  1
  Cu  Cu46  1  0.746189  0.547641  0.535513  1
  Cu  Cu47  1  0.064731  0.184747  0.503238  1
  Cu  Cu48  1  0.310528  0.676307  0.525881  1
  Cu  Cu49  1  0.868958  0.793210  0.547358  1
  Cu  Cu50  1  0.114532  0.284352  0.569911  1
  Cu  Cu51  1  0.427408  0.910163  0.568564  1
  Cu  Cu52  1  0.673176  0.401640  0.590687  1
  Cu  Cu53  1  0.991745  0.038807  0.558824  1
  Cu  Cu54  1  0.237649  0.530547  0.581077  1
  Cu  Cu55  1  0.556067  0.167416  0.548909  1
  Cu  Cu56  1  0.801981  0.659202  0.571511  1
  Cu  Cu57  1  0.360341  0.775989  0.593126  1
  Cu  Cu58  1  0.605847  0.266986  0.615538  1
  Cu  Cu59  1  0.918825  0.892975  0.614090  1
  Cu  Cu60  1  0.164643  0.384570  0.635981  1
  Cu  Cu61  1  0.483173  0.021654  0.604539  1
  Cu  Cu62  1  0.729115  0.513453  0.626558  1
  Cu  Cu63  1  0.047403  0.150088  0.594675  1
  Cu  Cu64  1  0.293529  0.642252  0.617151  1
  Cu  Cu65  1  0.851741  0.758801  0.639075  1
  Cu  Cu66  1  0.097393  0.250081  0.661075  1
  Cu  Cu67  1  0.410313  0.875966  0.659248  1
  Cu  Cu68  1  0.656329  0.367925  0.680899  1
  Cu  Cu69  1  0.974562  0.004440  0.650138  1
  Cu  Cu70  1  0.220568  0.496325  0.671921  1
  Cu  Cu71  1  0.538776  0.132847  0.640583  1
  Cu  Cu72  1  0.784777  0.624673  0.662530  1
  Cu  Cu73  1  0.342832  0.741002  0.684549  1
  Cu  Cu74  1  0.589523  0.234345  0.705714  1
  Cu  Cu75  1  0.901980  0.859323  0.703041  1
  Cu  Cu76  1  0.148416  0.352095  0.724561  1
  Cu  Cu77  1  0.465853  0.987059  0.694756  1
  Cu  Cu78  1  0.712201  0.479549  0.716365  1
  Cu  Cu79  1  0.030333  0.115985  0.685933  1
  Cu  Cu80  1  0.276113  0.607162  0.707006  1
